Assay Detail
Binding
CHEMBL663727
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Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Bifunctional dihydrofolate reductase-thymidylate synthase (CHEMBL1939) ↗| Type | SINGLE PROTEIN |
| Organism | Plasmodium falciparum K1 |
Publication
Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 25 | 7.42 | 8.60 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL161117 | — | — | 1 | 8.60 |
| CHEMBL159052 | — | — | 1 | 8.59 |
| CHEMBL161451 | — | — | 1 | 8.57 |
| CHEMBL159032 | — | — | 1 | 8.57 |
| CHEMBL354011 | — | — | 1 | 8.49 |
| CHEMBL158570 | — | — | 1 | 8.46 |
| CHEMBL346963 | — | — | 1 | 8.42 |
| CHEMBL161034 | — | — | 1 | 8.42 |
| CHEMBL161757 | — | — | 1 | 8.33 |
| CHEMBL351099 | — | — | 1 | 8.21 |
| CHEMBL348151 | — | — | 1 | 8.19 |
| CHEMBL352195 | — | — | 1 | 8.12 |
| CHEMBL346982 | — | — | 1 | 8.03 |
| CHEMBL329687 | — | — | 1 | 7.98 |
| CHEMBL13636 | — | — | 1 | 7.41 |
| CHEMBL93889 | — | — | 1 | 7.31 |
| CHEMBL161009 | — | — | 1 | 7.00 |
| CHEMBL93484 | — | — | 1 | 6.90 |
| CHEMBL7130 | — | — | 1 | 6.51 |
| CHEMBL158639 | — | — | 1 | 6.33 |
| CHEMBL161673 | — | — | 1 | 6.02 |
| CHEMBL747 | CYCLOGUANIL | 2.0 | 1 | 5.88 |
| CHEMBL158691 | — | — | 1 | 5.66 |
| CHEMBL158054 | — | — | 1 | 5.04 |
| CHEMBL345146 | — | — | 1 | 4.35 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL161117 | — | Ki | = | 2.5 | nM | 8.60 |
| CHEMBL159052 | — | Ki | = | 2.6 | nM | 8.59 |
| CHEMBL161451 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL159032 | — | Ki | = | 2.7 | nM | 8.57 |
| CHEMBL354011 | — | Ki | = | 3.2 | nM | 8.49 |
| CHEMBL158570 | — | Ki | = | 3.5 | nM | 8.46 |
| CHEMBL346963 | — | Ki | = | 3.8 | nM | 8.42 |
| CHEMBL161034 | — | Ki | = | 3.8 | nM | 8.42 |
| CHEMBL161757 | — | Ki | = | 4.7 | nM | 8.33 |
| CHEMBL351099 | — | Ki | = | 6.2 | nM | 8.21 |
| CHEMBL348151 | — | Ki | = | 6.5 | nM | 8.19 |
| CHEMBL352195 | — | Ki | = | 7.5 | nM | 8.12 |
| CHEMBL346982 | — | Ki | = | 9.3 | nM | 8.03 |
| CHEMBL329687 | — | Ki | = | 10.5 | nM | 7.98 |
| CHEMBL13636 | — | Ki | = | 39.0 | nM | 7.41 |
| CHEMBL93889 | — | Ki | = | 49.3 | nM | 7.31 |
| CHEMBL161009 | — | Ki | = | 101.0 | nM | 7.00 |
| CHEMBL93484 | — | Ki | = | 127.0 | nM | 6.90 |
| CHEMBL7130 | — | Ki | = | 308.0 | nM | 6.51 |
| CHEMBL158639 | — | Ki | = | 471.0 | nM | 6.33 |
| CHEMBL161673 | — | Ki | = | 955.0 | nM | 6.02 |
| CHEMBL747 | CYCLOGUANIL | Ki | = | 1314.0 | nM | 5.88 |
| CHEMBL158691 | — | Ki | = | 2177.0 | nM | 5.66 |
| CHEMBL158054 | — | Ki | = | 9229.0 | nM | 5.04 |
| CHEMBL345146 | — | Ki | = | 44791.0 | nM | 4.35 |